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10103-89-6 molecular structure
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2,3-bis[(acetyloxy)methyl]quinoxaline-1,4-diium-1,4-bis(olate)

ChemBase ID: 179805
Molecular Formular: C14H14N2O6
Molecular Mass: 306.27076
Monoisotopic Mass: 306.08518618
SMILES and InChIs

SMILES:
[n+]1(c(c([n+](c2c1cccc2)[O-])COC(=O)C)COC(=O)C)[O-]
Canonical SMILES:
CC(=O)OCc1[n+]([O-])c2ccccc2[n+](c1COC(=O)C)[O-]
InChI:
InChI=1S/C14H14N2O6/c1-9(17)21-7-13-14(8-22-10(2)18)16(20)12-6-4-3-5-11(12)15(13)19/h3-6H,7-8H2,1-2H3
InChIKey:
UPTLHMUHWUBHKR-UHFFFAOYSA-N

Cite this record

CBID:179805 http://www.chembase.cn/molecule-179805.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-bis[(acetyloxy)methyl]quinoxaline-1,4-diium-1,4-bis(olate)
IUPAC Traditional name
2,3-bis[(acetyloxy)methyl]quinoxaline-1,4-diium-1,4-bis(olate)
Synonyms
Quinoxidine
CAS Number
10103-89-6
PubChem SID
164235715
PubChem CID
24944

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
InterBioScreen
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Data Source Data ID
PubChem 24944 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.6762325  LogD (pH = 7.4) -0.6762325 
Log P -0.6762325  Molar Refractivity 76.8922 cm3
Polarizability 29.653322 Å3 Polar Surface Area 103.52 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Application(s)
Antiseptic expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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